5-({3-chloro-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-({3-chloro-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
5-({3-chloro-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | 5789-1033 |
| Compound Name: | 5-({3-chloro-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 404.91 |
| Molecular Formula: | C20 H21 Cl N2 O3 S |
| Smiles: | COc1cc(/C=C2/C(N(C3CCCCC3)C(N2)=S)=O)cc(c1OCC#C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6084 |
| logD: | 4.604 |
| logSw: | -4.7994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.951 |
| InChI Key: | KDOXPHCGOFKIQW-UHFFFAOYSA-N |